2-cyano-2-(4-ethoxyphenyl)acetic acid

C11H11NO3 — CID 63272630

IUPAC2-cyano-2-(4-ethoxyphenyl)acetic acid
SMILESCCOc1ccc(C(C#N)C(=O)O)cc1
InChIInChI=1S/C11H11NO3/c1-2-15-9-5-3-8(4-6-9)10(7-12)11(13)14/h3-6,10H,2H2,1H3,(H,13,14)
InChIKeyKLANNVAEZATGSP-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.78
Rot. Bonds4

About 2-cyano-2-(4-ethoxyphenyl)acetic acid

2-cyano-2-(4-ethoxyphenyl)acetic acid (PubChem CID 63272630) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-cyano-2-(4-ethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-cyano-2-(4-ethoxyphenyl)acetic acid
PubChem CID63272630
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-cyano-2-(4-ethoxyphenyl)acetic acid
SMILESCCOc1ccc(C(C#N)C(=O)O)cc1
InChIInChI=1S/C11H11NO3/c1-2-15-9-5-3-8(4-6-9)10(7-12)11(13)14/h3-6,10H,2H2,1H3,(H,13,14)
InChIKeyKLANNVAEZATGSP-UHFFFAOYSA-N
XLogP1.78
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-3-(4-ethoxyphenyl)-3-oxopropanenitrile
CID 43334112
2-(4-ethoxyphenyl)-5,6,6-trimethyl-3-oxoheptanenitrile
CID 63833452
3-(2-bromophenyl)-2-(4-ethoxyphenyl)-3-oxopropanenitrile
CID 43157185
2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43334740
4-cyclohexyl-2-(4-ethoxyphenyl)-3-oxobutanenitrile
CID 43334715
2-(4-ethoxyphenyl)-3-(2-methylcyclopentyl)-3-oxopropanenitrile
CID 107179045
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
CID 82023855
2-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-3-oxopropanenitrile
CID 107972442
2-(4-ethoxyphenyl)-3-(1-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 103118513
3-(1,3-dimethylpyrazol-4-yl)-2-(4-ethoxyphenyl)-3-oxopropanenitrile
CID 102801620
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(4-ethoxyphenyl)acetic acid?
The IUPAC name of 2-cyano-2-(4-ethoxyphenyl)acetic acid (CID 63272630) is 2-cyano-2-(4-ethoxyphenyl)acetic acid.
What is the SMILES notation for 2-cyano-2-(4-ethoxyphenyl)acetic acid?
The canonical SMILES for 2-cyano-2-(4-ethoxyphenyl)acetic acid is CCOc1ccc(C(C#N)C(=O)O)cc1.
What is the InChIKey of 2-cyano-2-(4-ethoxyphenyl)acetic acid?
The InChIKey is KLANNVAEZATGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-15-9-5-3-8(4-6-9)10(7-12)11(13)14/h3-6,10H,2H2,1H3,(H,13,14).
What are the key properties of 2-cyano-2-(4-ethoxyphenyl)acetic acid?
2-cyano-2-(4-ethoxyphenyl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(4-ethoxyphenyl)acetic acid is sourced from PubChem (CID 63272630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).